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. 2019 Feb 15;21(17):8614–8618. doi: 10.1039/c8cp07508e

Fig. 1. (a) Intercalation process of 3a into a 12-mer (poly-dAT)2 though path M (major groove) and path m (minor groove). (b) Free energy profiles (kcal mol–1) of path M (major) and m (minor) computed with umbrella sampling MD simulations. The bootstrap error values are shown over the plots.

Fig. 1